N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide

C26H30N4O2 — CID 70656079

IUPACN-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(N)n1)C(=O)c1ccc(C[C@@H]2CC[C@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C26H30N4O2/c1-30(17-22-8-5-9-24(27)29-22)26(32)20-12-10-18(11-13-20)16-21-14-15-23(28-21)25(31)19-6-3-2-4-7-19/h2-13,21,23,25,28,31H,14-17H2,1H3,(H2,27,29)/t21-,23+,25?/m0/s1
InChIKeyXJCJGIGCUIJOJY-RSVYQVDKSA-N
MW430.55 g/mol
LogP3.33
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide

N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide (PubChem CID 70656079) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
PubChem CID70656079
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(N)n1)C(=O)c1ccc(C[C@@H]2CC[C@H](C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C26H30N4O2/c1-30(17-22-8-5-9-24(27)29-22)26(32)20-12-10-18(11-13-20)16-21-14-15-23(28-21)25(31)19-6-3-2-4-7-19/h2-13,21,23,25,28,31H,14-17H2,1H3,(H2,27,29)/t21-,23+,25?/m0/s1
InChIKeyXJCJGIGCUIJOJY-RSVYQVDKSA-N
XLogP3.33
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide (CID 70656079) is N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide is CN(Cc1cccc(N)n1)C(=O)c1ccc(C[C@@H]2CC[C@H](C(O)c3ccccc3)N2)cc1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide?
The InChIKey is XJCJGIGCUIJOJY-RSVYQVDKSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-30(17-22-8-5-9-24(27)29-22)26(32)20-12-10-18(11-13-20)16-21-14-15-23(28-21)25(31)19-6-3-2-4-7-19/h2-13,21,23,25,28,31H,14-17H2,1H3,(H2,27,29)/t21-,23+,25?/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide?
N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 70656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).